Molecular Identity
Milademetan
PubChem CID: 73297272
2D Structure
Properties
C30H34Cl2FN5O4
Molecular Formula
618.50
Molecular Weight
g/mol
617.1972
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
135
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
1090
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Milademetan1398568-47-2DS-3032MDM2 inhibitor DS-3032R3I80TLN7SRAIN-322,6-Anhydro-5-((((3'R,4'S,5'R)-6''-chloro-4'-(2-chloro-3-fluoro-4-pyridinyl)-1'',2''-dihydro-4,4-dimethyl-2''-oxodispiro(cyclohexane-1,2'-pyrrolidine-3',3''-(3H)indol)-5'-yl)carbonyl)amino)-3,4,5-trideoxy-L-erythro-hexonamide(3'R,4'S,5'R)-N-[(3R,6S)-6-carbamoyloxan-3-yl]-6''-chloro-4'-(2-chloro-3-fluoropyridin-4-yl)-4,4-dimethyl-2''-oxo-1'',2''-dihydrodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indole]-5'-carboxamideL-Erythro-hexonamide, 2,6-anhydro-5-((((3'R,4'S,5'R)-6''-chloro-4'-(2-chloro-3-fluoro-4-pyridinyl)-1'',2''-dihydro-4,4-dimethyl-2''-oxodispiro(cyclohexane-1,2'-pyrrolidine-3',3''-(3H)indol)-5'-yl)carbonyl)amino)-3,4,5-trideoxy-milademetanum(3'R,4'S,5'R)-N-((3R,6S)-6-carbamoyloxan-3-yl)-6''-chloro-4'-(2-chloro-3-fluoropyridin-4-yl)-4,4-dimethyl-2''-oxo-1'',2''-dihydrodispiro(cyclohexane-1,2'-pyrrolidine-3',3''-indole)-5'-carboxamideL-erythro-Hexonamide, 2,6-anhydro-5-[[[(3'R,4'S,5'R)-6''-chloro-4'-(2-chloro-3-fluoro-4-pyridinyl)-1'',2''-dihydro-4,4-dimethyl-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-[3H]indol]-5'-yl]carbonyl]amino]-3,4,5-trideoxy-RefChem:1588562,6-Anhydro-5-((((3'R,4'S,5'R)-6'\"-chloro-4'-(2-chloro-3-fluoro-4-pyridinyl)-1'\",2'\"-dihydro-4,4-dimethyl-2''-oxodispiro(cyclohexane-1,2'-pyrrolidine-3',3''-(3H)indol)-5'-yl)carbonyl)amino)-3,4,5-trideoxy-L-erythro-hexonamideDS3032
Data from PubChem (NCBI)
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